SCHEMBL19981683

SCHEMBL19981683

O=C(Nc1cc(C2=NNC(O)C(Nc3ccc(CN[C@@H]4CCOC4)cn3)=C2)ccc1F)c1cc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.37
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 3/20 0.33
BCL6 P41182 1/20 0.33
TACR2 P21452 1/20 0.33
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
WDR5 P61964 2/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
TMIGD3 P0DMS9 2/20 0.31
ADORA1 P30542 2/20 0.31
METTL3 Q86U44 1/20 0.31
ADORA2A P29274 1/20 0.31
PDGFRB P09619 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2465624 0.83 BTK (0.55) BTKROCK2ROCK1HDAC1HDAC2
SCHEMBL19981931 0.72 BTK (0.44) BTKHDAC1BCL6
SCHEMBL19981770 0.69 BTK (0.42) BTKHDAC1BCL6MAPK14TMIGD3
SCHEMBL2493858 0.67 BTK (0.59) BTKBCL6PDCD1CD274WDR5
SCHEMBL9987266 0.67 BTK (0.44) BTKHDAC1HDAC2BCL6TMIGD3
SCHEMBL2462161 0.67 BTK (0.63) BTKHDAC1HDAC2BCL6TMIGD3
SCHEMBL2467451 0.66 BTK (0.58) BTKHDAC1HDAC2BCL6TMIGD3
SCHEMBL2465846 0.66 BTK (0.58) BTKHDAC1HDAC2BCL6PDCD1
SCHEMBL19981722 0.66 BTK (0.46) BTKBCL6
SCHEMBL2464067 0.66 BTK (0.58) BTKROCK2HDAC1HDAC2BCL6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed